2R3U
 
 | | Crystal structure of the PDZ deletion mutant of DegS | | 分子名称: | Protease degS | | 著者 | Clausen, T, Kurzbauer, R. | | 登録日 | 2007-08-30 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Regulation of the sigmaE stress response by DegS: how the PDZ domain keeps the protease inactive in the resting state and allows integration of different OMP-derived stress signals upon folding stress.
Genes Dev., 21, 2007
|
|
2F1G
 | | Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide | | 分子名称: | Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | | 著者 | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | | 登録日 | 2005-11-14 | | 公開日 | 2006-04-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
2H70
 | | Crystal Structure of Thioredoxin Mutant D9E in Hexagonal (p61) Space Group | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin | | 著者 | Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | 登録日 | 2006-06-01 | | 公開日 | 2007-05-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization.
Biophys.J., 89, 2005
|
|
3UNK
 | | CDK2 in complex with inhibitor YL5-083 | | 分子名称: | 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | | 著者 | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | | 登録日 | 2011-11-15 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
|
|
2EMS
 | | Crystal Structure Analysis of the radixin FERM domain complexed with adhesion molecule CD43 | | 分子名称: | Leukosialin, Radixin | | 著者 | Takai, Y, Kitano, K, Terawaki, S, Maesaki, R, Hakoshima, T. | | 登録日 | 2007-03-28 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis of the cytoplasmic tail of adhesion molecule CD43 and its binding to ERM proteins
J.Mol.Biol., 381, 2008
|
|
2HSA
 | | Crystal structure of 12-oxophytodienoate reductase 3 (OPR3) from tomato | | 分子名称: | 12-oxophytodienoate reductase 3, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Breithaupt, C, Clausen, T, Huber, R. | | 登録日 | 2006-07-21 | | 公開日 | 2006-09-12 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of 12-oxophytodienoate reductase 3 from tomato: Self-inhibition by dimerization.
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
3UBQ
 | | Influenza hemagglutinin from the 2009 pandemic in complex with ligand 3SLN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | 著者 | Xu, R, Wilson, I.A. | | 登録日 | 2011-10-24 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic.
J.Virol., 86, 2012
|
|
3UCA
 | | Crystal structure of isoprenoid synthase (target EFI-501974) from clostridium perfringens | | 分子名称: | Geranyltranstransferase | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2011-10-26 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3UGX
 | | Crystal Structure of Visual Arrestin | | 分子名称: | 1,2-ETHANEDIOL, IMIDAZOLE, PENTANEDIAL, ... | | 著者 | Batra-Safferling, R, Granzin, J. | | 登録日 | 2011-11-03 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.649 Å) | | 主引用文献 | Crystal Structure of p44, a Constitutively Active Splice Variant of Visual Arrestin.
J.Mol.Biol., 416, 2012
|
|
3UGU
 | |
3UNJ
 | | CDK2 in complex with inhibitor YL1-038-31 | | 分子名称: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | | 著者 | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | | 登録日 | 2011-11-15 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9001 Å) | | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
|
|
2N72
 | |
2K2O
 | |
2L77
 | |
2QV4
 | | Human pancreatic alpha-amylase complexed with nitrite and acarbose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose, CALCIUM ION, ... | | 著者 | Williams, L.K, Maurus, R, Brayer, G.D. | | 登録日 | 2007-08-07 | | 公開日 | 2008-03-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
|
|
2QU2
 | | BACE1 with Compound 1 | | 分子名称: | Beta-secretase 1, N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide | | 著者 | Chopra, R. | | 登録日 | 2007-08-03 | | 公開日 | 2008-08-05 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Thiophene substituted acylguanidines as BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2G3V
 | | Crystal structure of CagS (HP0534, Cag13) from Helicobacter pylori | | 分子名称: | (UNK)(UNK)(UNK)(UNK)(UNK)(MSE)(UNK), CAG pathogenicity island protein 13 | | 著者 | Cendron, L, Tasca, E, Angelini, A, Seydel, A, Battistutta, R, Montecucco, C, Zanotti, G. | | 登録日 | 2006-02-21 | | 公開日 | 2007-03-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of CagS from helicobacter pylori
To be Published
|
|
6RFF
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | | 分子名称: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | 著者 | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | | 登録日 | 2019-04-14 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
|
|
6S75
 | | Crystal structure of Nek7 bound to compound 51 | | 分子名称: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7 | | 著者 | Nasir, N, Bayliss, R. | | 登録日 | 2019-07-04 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
|
|
5DYB
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol | | 分子名称: | 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | 登録日 | 2015-09-24 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
|
|
6RHL
 | | Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | 著者 | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | | 登録日 | 2019-04-22 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | | 主引用文献 | Are crystallographic B-factors suitable for calculating protein conformational entropy?
Phys Chem Chem Phys, 21, 2019
|
|
5E16
 | | Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP | | 分子名称: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE | | 著者 | El Bakkouri, M, Walker, J.R, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Structural Genomics Consortium (SGC) | | 登録日 | 2015-09-29 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6RHM
 | | Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | 著者 | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | | 登録日 | 2019-04-22 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.596 Å) | | 主引用文献 | Are crystallographic B-factors suitable for calculating protein conformational entropy?
Phys Chem Chem Phys, 21, 2019
|
|
6RKC
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | 分子名称: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, Methionine adenosyltransferase, ... | | 著者 | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | 登録日 | 2019-04-30 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
|
|
5E79
 | | Macromolecular diffractive imaging using imperfect crystals | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | | 登録日 | 2015-10-12 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
|
|
